methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate

C9H9NO3 — CID 102291875

IUPACmethyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate
SMILESC=Cc1cc(C(=O)OC)c[nH]c1=O
InChIInChI=1S/C9H9NO3/c1-3-6-4-7(9(12)13-2)5-10-8(6)11/h3-5H,1H2,2H3,(H,10,11)
InChIKeyFGFXRLQMPUMXBE-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.80
Rot. Bonds2

About methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate

methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 102291875) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID102291875
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Namemethyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate
SMILESC=Cc1cc(C(=O)OC)c[nH]c1=O
InChIInChI=1S/C9H9NO3/c1-3-6-4-7(9(12)13-2)5-10-8(6)11/h3-5H,1H2,2H3,(H,10,11)
InChIKeyFGFXRLQMPUMXBE-UHFFFAOYSA-N
XLogP0.80
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate (CID 102291875) is methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate is C=Cc1cc(C(=O)OC)c[nH]c1=O.
What is the InChIKey of methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FGFXRLQMPUMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-3-6-4-7(9(12)13-2)5-10-8(6)11/h3-5H,1H2,2H3,(H,10,11).
What are the key properties of methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 179.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 102291875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).